2-methoxy-3-methyl-2,4,6-triphenylpyran

C25H22O2 — CID 12706212

IUPAC2-methoxy-3-methyl-2,4,6-triphenylpyran
SMILESCOC1(c2ccccc2)OC(c2ccccc2)=CC(c2ccccc2)=C1C
InChIInChI=1S/C25H22O2/c1-19-23(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-25(19,26-2)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyFPQJTWAXDSJMCM-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.03
Rot. Bonds4

About 2-methoxy-3-methyl-2,4,6-triphenylpyran

2-methoxy-3-methyl-2,4,6-triphenylpyran (PubChem CID 12706212) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methoxy-3-methyl-2,4,6-triphenylpyran.

Molecular Properties

Compound Name2-methoxy-3-methyl-2,4,6-triphenylpyran
PubChem CID12706212
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-3-methyl-2,4,6-triphenylpyran
SMILESCOC1(c2ccccc2)OC(c2ccccc2)=CC(c2ccccc2)=C1C
InChIInChI=1S/C25H22O2/c1-19-23(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-25(19,26-2)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyFPQJTWAXDSJMCM-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-2,4,6-triphenylpyran?
The IUPAC name of 2-methoxy-3-methyl-2,4,6-triphenylpyran (CID 12706212) is 2-methoxy-3-methyl-2,4,6-triphenylpyran.
What is the SMILES notation for 2-methoxy-3-methyl-2,4,6-triphenylpyran?
The canonical SMILES for 2-methoxy-3-methyl-2,4,6-triphenylpyran is COC1(c2ccccc2)OC(c2ccccc2)=CC(c2ccccc2)=C1C.
What is the InChIKey of 2-methoxy-3-methyl-2,4,6-triphenylpyran?
The InChIKey is FPQJTWAXDSJMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-19-23(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27-25(19,26-2)22-16-10-5-11-17-22/h3-18H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-2,4,6-triphenylpyran?
2-methoxy-3-methyl-2,4,6-triphenylpyran has a molecular weight of 354.45 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-2,4,6-triphenylpyran is sourced from PubChem (CID 12706212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).